UCSF

ZINC42269070

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 5.73 -42.27 3 4 1 62 264.345 7
Hi High (pH 8-9.5) 2.68 4.74 -53.62 1 4 -1 64 262.329 7
Hi High (pH 8-9.5) 2.68 3.73 -9.38 2 4 0 61 263.337 7
Mid Mid (pH 6-8) 2.68 6.74 -56.42 2 4 0 65 263.337 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )